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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O2
Molecular Weight 318.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNAN-20.BETA.-OL-3-ONE

SMILES

C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=DYVGYXXLXQESJE-XPLLOJBJSA-N
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14+,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H34O2
Molecular Weight 318.4935
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:36:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:36:13 GMT 2025
Record UNII
556HK348QM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNAN-20.BETA.-OL-3-ONE [MI]
Preferred Name English
ALLOPREGNAN-20.BETA.-OL-3-ONE
MI  
Common Name English
Code System Code Type Description
MERCK INDEX
m1540
Created by admin on Mon Mar 31 22:36:13 GMT 2025 , Edited by admin on Mon Mar 31 22:36:13 GMT 2025
PRIMARY Merck Index
PUBCHEM
22211699
Created by admin on Mon Mar 31 22:36:13 GMT 2025 , Edited by admin on Mon Mar 31 22:36:13 GMT 2025
PRIMARY
FDA UNII
556HK348QM
Created by admin on Mon Mar 31 22:36:13 GMT 2025 , Edited by admin on Mon Mar 31 22:36:13 GMT 2025
PRIMARY
CAS
516-58-5
Created by admin on Mon Mar 31 22:36:13 GMT 2025 , Edited by admin on Mon Mar 31 22:36:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID301302561
Created by admin on Mon Mar 31 22:36:13 GMT 2025 , Edited by admin on Mon Mar 31 22:36:13 GMT 2025
PRIMARY